General Information of the Compound
| Compound ID |
CP0040451
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| Compound Name |
(E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone
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| Structure |
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| Formula |
C15H12O4
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| Molecular Weight |
256.257
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| Canonical SMILES |
Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
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| InChI |
InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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| InChIKey |
DXDRHHKMWQZJHT-FPYGCLRLSA-N
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| CAS |
961-29-5
13745-20-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03614, NACHT, LRR and PYD domains-containing protein 3
Protein ID: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000040 | THP-1 | Homo sapiens (Human) | 1 |
| 1 |
CC50 = 250000 nM
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TI
LI
LO
TS
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